(1-Amino-2-methylpropyl)-(hexylcarbamothioyl)phosphinic acid | 1046117-05-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: (1-Amino-2-methylpropyl)-(hexylcarbamothioyl)phosphinic acid
• CAS: 1046117-05-8
• 化学式: C₁₁H₂₅N₂O₂PS
• 分子量: 280.371
• InChiKey: UNYJDMVNKAVUQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 methyloxirane 作用下， 以 甲醇 为溶剂， 生成 (1-Amino-2-methylpropyl)-(hexylcarbamothioyl)phosphinic acid
  参考文献：
  名称：

  First synthesis of α-aminoalkyl-(N-substituted)thiocarbamoyl-phosphinates: Inhibitors of aminopeptidase N (APN/CD13) with the new zinc-binding group

  摘要：

  OO-Di-trimethylsilyl esters of alpha-N-benzyloxycarbonylaminoalkylphosphinates (III) undergo triethylamine catalyzed addition to isothiocyanates to give after hydrolysis, a series of new alpha-aminoalkyl-(Nsubstituted)thiocarbamoyl-phosphinates. Thiocarbamoyl-phosphinate moiety can be included in the structures of the metalloproteinase inhibitors as the zinc-binding group and the new compounds reported here are good inhibitors of important aminopeptidase N(CD13) with IC(50) in range of 10.56- 0.25 mu M. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.050